1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C26H30FN — CID 139848414

IUPAC1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCC1CCC(c2ccc(C3CCc4c(ccc(C#N)c4F)C3)cc2)CC1
InChIInChI=1S/C26H30FN/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-14-15-25-23(16-22)12-13-24(17-28)26(25)27/h8-13,18-19,22H,2-7,14-16H2,1H3
InChIKeyPRMYWCBFLZKXOB-UHFFFAOYSA-N
MW375.53 g/mol
LogP7.04
Rot. Bonds4

About 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139848414) has the molecular formula C26H30FN and a molecular weight of 375.53 g/mol. Its IUPAC name is 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139848414
Molecular FormulaC26H30FN
Molecular Weight375.53 g/mol
Exact Mass375.24
IUPAC Name1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCC1CCC(c2ccc(C3CCc4c(ccc(C#N)c4F)C3)cc2)CC1
InChIInChI=1S/C26H30FN/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-14-15-25-23(16-22)12-13-24(17-28)26(25)27/h8-13,18-19,22H,2-7,14-16H2,1H3
InChIKeyPRMYWCBFLZKXOB-UHFFFAOYSA-N
XLogP7.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847971
1-fluoro-6-(6-pentylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849138
3-fluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848490
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
2,5-difluoro-4-(7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)benzonitrile
CID 22045336
6-(2,6-difluoro-4-heptylphenyl)-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848050
1,3-difluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849548
1-fluoro-6-[2-(4-heptylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849708
(4-cyano-2,3-difluorophenyl) 4-(4-butylcyclohexyl)benzoate
CID 19103692
5,6-difluoro-2-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849831
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853435

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139848414) is 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCCC1CCC(c2ccc(C3CCc4c(ccc(C#N)c4F)C3)cc2)CC1.
What is the InChIKey of 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is PRMYWCBFLZKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-14-15-25-23(16-22)12-13-24(17-28)26(25)27/h8-13,18-19,22H,2-7,14-16H2,1H3.
What are the key properties of 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 375.53 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139848414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).