N-(4,4-difluorocyclohexyl)-6-phenylhexanamide

C18H25F2NO — CID 154665756

IUPACN-(4,4-difluorocyclohexyl)-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C18H25F2NO/c19-18(20)13-11-16(12-14-18)21-17(22)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22)
InChIKeyGWLBKLRQCAQNOT-UHFFFAOYSA-N
MW309.40 g/mol
LogP4.48
Rot. Bonds7

About N-(4,4-difluorocyclohexyl)-6-phenylhexanamide

N-(4,4-difluorocyclohexyl)-6-phenylhexanamide (PubChem CID 154665756) has the molecular formula C18H25F2NO and a molecular weight of 309.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-phenylhexanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-phenylhexanamide
PubChem CID154665756
Molecular FormulaC18H25F2NO
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC NameN-(4,4-difluorocyclohexyl)-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C18H25F2NO/c19-18(20)13-11-16(12-14-18)21-17(22)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22)
InChIKeyGWLBKLRQCAQNOT-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-phenylhexanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-phenylhexanamide (CID 154665756) is N-(4,4-difluorocyclohexyl)-6-phenylhexanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-phenylhexanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-phenylhexanamide is O=C(CCCCCc1ccccc1)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-phenylhexanamide?
The InChIKey is GWLBKLRQCAQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO/c19-18(20)13-11-16(12-14-18)21-17(22)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-phenylhexanamide?
N-(4,4-difluorocyclohexyl)-6-phenylhexanamide has a molecular weight of 309.40 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-phenylhexanamide is sourced from PubChem (CID 154665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).