N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide

C14H25F2NO2 — CID 103860209

IUPACN-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-3-10(4-2)12(18)9-17-13(19)11-5-7-14(15,16)8-6-11/h10-12,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyKUEKSRQDRGIEFZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.73
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide

N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 103860209) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID103860209
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-3-10(4-2)12(18)9-17-13(19)11-5-7-14(15,16)8-6-11/h10-12,18H,3-9H2,1-2H3,(H,17,19)
InChIKeyKUEKSRQDRGIEFZ-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide (CID 103860209) is N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide is CCC(CC)C(O)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is KUEKSRQDRGIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-3-10(4-2)12(18)9-17-13(19)11-5-7-14(15,16)8-6-11/h10-12,18H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 103860209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).