2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

C29H41FO — CID 139861552

IUPAC2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCC1CCC(C2CCC(CCc3ccc4c(F)c(OCC)ccc4c3)CC2)CC1
InChIInChI=1S/C29H41FO/c1-3-5-21-8-13-24(14-9-21)25-15-10-22(11-16-25)6-7-23-12-18-27-26(20-23)17-19-28(29(27)30)31-4-2/h12,17-22,24-25H,3-11,13-16H2,1-2H3
InChIKeyCDBMXSTYCRWQRM-UHFFFAOYSA-N
MW424.64 g/mol
LogP8.72
Rot. Bonds8

About 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139861552) has the molecular formula C29H41FO and a molecular weight of 424.64 g/mol. Its IUPAC name is 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139861552
Molecular FormulaC29H41FO
Molecular Weight424.64 g/mol
Exact Mass424.31
IUPAC Name2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESCCCC1CCC(C2CCC(CCc3ccc4c(F)c(OCC)ccc4c3)CC2)CC1
InChIInChI=1S/C29H41FO/c1-3-5-21-8-13-24(14-9-21)25-15-10-22(11-16-25)6-7-23-12-18-27-26(20-23)17-19-28(29(27)30)31-4-2/h12,17-22,24-25H,3-11,13-16H2,1-2H3
InChIKeyCDBMXSTYCRWQRM-UHFFFAOYSA-N
XLogP8.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-methoxy-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863128
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
1-ethoxy-2,3-difluoro-4-[4-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]phenyl]benzene
CID 58555455
1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
2-[4-[2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]ethyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967536
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139861552) is 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is CCCC1CCC(C2CCC(CCc3ccc4c(F)c(OCC)ccc4c3)CC2)CC1.
What is the InChIKey of 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is CDBMXSTYCRWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FO/c1-3-5-21-8-13-24(14-9-21)25-15-10-22(11-16-25)6-7-23-12-18-27-26(20-23)17-19-28(29(27)30)31-4-2/h12,17-22,24-25H,3-11,13-16H2,1-2H3.
What are the key properties of 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 424.64 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).