1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene

C25H32F2 — CID 145223046

IUPAC1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
SMILESCC(C)CCC(C)C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H32F2/c1-17(2)4-5-18(3)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,4-9H2,1-3H3
InChIKeyAVSUDNSNFQXMST-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.98
Rot. Bonds6

About 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene (PubChem CID 145223046) has the molecular formula C25H32F2 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
PubChem CID145223046
Molecular FormulaC25H32F2
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
SMILESCC(C)CCC(C)C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H32F2/c1-17(2)4-5-18(3)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,4-9H2,1-3H3
InChIKeyAVSUDNSNFQXMST-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene (CID 145223046) is 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene is CC(C)CCC(C)C1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene?
The InChIKey is AVSUDNSNFQXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2/c1-17(2)4-5-18(3)19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-24(26)25(27)16-23/h10-20H,4-9H2,1-3H3.
What are the key properties of 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene?
1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 145223046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).