cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine

C15H23F2N — CID 147968810

IUPACcis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
SMILESC=CC(F)(F)C1C=C([C@H]2CCC[C@@H](N)C2)CCC1
InChIInChI=1S/C15H23F2N/c1-2-15(16,17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h2,9,12-14H,1,3-8,10,18H2/t12-,13?,14+/m0/s1
InChIKeyIQYDCNLIOIMZGZ-SMEJFCCLSA-N
MW255.35 g/mol
LogP4.05
Rot. Bonds3

About cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine

cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine (PubChem CID 147968810) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
PubChem CID147968810
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Namecis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
SMILESC=CC(F)(F)C1C=C([C@H]2CCC[C@@H](N)C2)CCC1
InChIInChI=1S/C15H23F2N/c1-2-15(16,17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h2,9,12-14H,1,3-8,10,18H2/t12-,13?,14+/m0/s1
InChIKeyIQYDCNLIOIMZGZ-SMEJFCCLSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.05
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 cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine (CID 147968810) is cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine is C=CC(F)(F)C1C=C([C@H]2CCC[C@@H](N)C2)CCC1.
What is the InChIKey of cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine?
The InChIKey is IQYDCNLIOIMZGZ-SMEJFCCLSA-N. The full InChI is InChI=1S/C15H23F2N/c1-2-15(16,17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h2,9,12-14H,1,3-8,10,18H2/t12-,13?,14+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine?
cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 147968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).