(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide

C11H15F2NO — CID 177192865

IUPAC(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
SMILESC=CC(=C)NC(=O)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H15F2NO/c1-3-8(2)14-10(15)9-5-4-6-11(12,13)7-9/h3,9H,1-2,4-7H2,(H,14,15)/t9-/m0/s1
InChIKeySNRAOXZTNWPVOQ-VIFPVBQESA-N
MW215.24 g/mol
LogP2.63
Rot. Bonds3

About (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide

(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 177192865) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
PubChem CID177192865
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
SMILESC=CC(=C)NC(=O)[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H15F2NO/c1-3-8(2)14-10(15)9-5-4-6-11(12,13)7-9/h3,9H,1-2,4-7H2,(H,14,15)/t9-/m0/s1
InChIKeySNRAOXZTNWPVOQ-VIFPVBQESA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
CID 114226447
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
N-(5-aminopentan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226715
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
3,3-difluoro-N-(2-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carboxamide
CID 177192498
2-[(3,3-difluorocyclohexanecarbonyl)amino]pent-4-ynoic acid
CID 114226223

Frequently Asked Questions

What is the IUPAC name of (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide (CID 177192865) is (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide is C=CC(=C)NC(=O)[C@H]1CCCC(F)(F)C1.
What is the InChIKey of (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is SNRAOXZTNWPVOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-8(2)14-10(15)9-5-4-6-11(12,13)7-9/h3,9H,1-2,4-7H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide?
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 177192865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).