7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane

C18H24F2 — CID 19387617

IUPAC7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
SMILESCCCC1CC2(CCC(c3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H24F2/c1-2-3-13-11-18(12-13)8-6-14(7-9-18)15-4-5-16(19)17(20)10-15/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3
InChIKeyWRUKGNRWQPBQOQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.82
Rot. Bonds3

About 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane

7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane (PubChem CID 19387617) has the molecular formula C18H24F2 and a molecular weight of 278.39 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
PubChem CID19387617
Molecular FormulaC18H24F2
Molecular Weight278.39 g/mol
Exact Mass278.18
IUPAC Name7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
SMILESCCCC1CC2(CCC(c3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H24F2/c1-2-3-13-11-18(12-13)8-6-14(7-9-18)15-4-5-16(19)17(20)10-15/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3
InChIKeyWRUKGNRWQPBQOQ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1,2-difluoro-4-(3-propylcyclobutyl)benzene
CID 19387615
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
1,2-difluoro-4-[(4R,5R)-2,2,3,3,5,6-hexadeuterio-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173275885
CID 22924529
CID 22924529
1,2-difluoro-4-[2-[2-fluoro-4-(3,3,5,5-tetradeuterio-4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 58839853

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane?
The IUPAC name of 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane (CID 19387617) is 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane?
The canonical SMILES for 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane is CCCC1CC2(CCC(c3ccc(F)c(F)c3)CC2)C1.
What is the InChIKey of 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane?
The InChIKey is WRUKGNRWQPBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2/c1-2-3-13-11-18(12-13)8-6-14(7-9-18)15-4-5-16(19)17(20)10-15/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3.
What are the key properties of 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane?
7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane has a molecular weight of 278.39 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane is sourced from PubChem (CID 19387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).