7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene

C27H27F3 — CID 139862781

IUPAC7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1cc2ccc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C27H27F3/c1-3-5-22-16-21-14-15-23(26(29)24(21)27(30)25(22)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h3,5,10-18H,4,6-9H2,1-2H3/b5-3+
InChIKeyMBJGTKRGCUKNQN-HWKANZROSA-N
MW408.51 g/mol
LogP8.64
Rot. Bonds4

About 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene

7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene (PubChem CID 139862781) has the molecular formula C27H27F3 and a molecular weight of 408.51 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
PubChem CID139862781
Molecular FormulaC27H27F3
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene
SMILESC/C=C/c1cc2ccc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C27H27F3/c1-3-5-22-16-21-14-15-23(26(29)24(21)27(30)25(22)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h3,5,10-18H,4,6-9H2,1-2H3/b5-3+
InChIKeyMBJGTKRGCUKNQN-HWKANZROSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139862117
3-fluoro-1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 58953489
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-[4-(4,4-difluorocyclohexyl)phenyl]-2,3-difluoro-4-prop-1-enylbenzene
CID 54024865
3-ethenyl-1,2,8-trifluoro-7-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861882
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139823028
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-[(E)-pent-3-enyl]naphthalene
CID 139861346
1,2,8-trifluoro-3-[4-(4-pentylcyclohexyl)phenyl]-7-propylnaphthalene
CID 139860768
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470533
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene
CID 139862727

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene (CID 139862781) is 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene is C/C=C/c1cc2ccc(-c3ccc(C4CCC(CC)CC4)cc3)c(F)c2c(F)c1F.
What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
The InChIKey is MBJGTKRGCUKNQN-HWKANZROSA-N. The full InChI is InChI=1S/C27H27F3/c1-3-5-22-16-21-14-15-23(26(29)24(21)27(30)25(22)28)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h3,5,10-18H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene?
7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene has a molecular weight of 408.51 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-ethylcyclohexyl)phenyl]-1,2,8-trifluoro-3-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139862781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).