(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide

C11H17F2NO — CID 129348978

IUPAC(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyRVAVYUUDPXNMFQ-BDAKNGLRSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds3

About (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 129348978) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID129348978
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyRVAVYUUDPXNMFQ-BDAKNGLRSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide (CID 129348978) is (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide is C[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)(F)F.
What is the InChIKey of (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RVAVYUUDPXNMFQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 217.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 129348978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).