(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine

C15H25F2N — CID 174095620

IUPAC(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
SMILESC=C(C)CCC[C@H](C)NC1=CCC(F)[C@@H](CF)C1
InChIInChI=1S/C15H25F2N/c1-11(2)5-4-6-12(3)18-14-7-8-15(17)13(9-14)10-16/h7,12-13,15,18H,1,4-6,8-10H2,2-3H3/t12-,13+,15?/m0/s1
InChIKeyUNUFIFZKJHDREE-IKCIUXDWSA-N
MW257.37 g/mol
LogP4.31
Rot. Bonds7

About (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine

(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine (PubChem CID 174095620) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine.

Molecular Properties

Compound Name(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
PubChem CID174095620
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
SMILESC=C(C)CCC[C@H](C)NC1=CCC(F)[C@@H](CF)C1
InChIInChI=1S/C15H25F2N/c1-11(2)5-4-6-12(3)18-14-7-8-15(17)13(9-14)10-16/h7,12-13,15,18H,1,4-6,8-10H2,2-3H3/t12-,13+,15?/m0/s1
InChIKeyUNUFIFZKJHDREE-IKCIUXDWSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.31
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 (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine?
The IUPAC name of (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine (CID 174095620) is (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine.
What is the SMILES notation for (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine?
The canonical SMILES for (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine is C=C(C)CCC[C@H](C)NC1=CCC(F)[C@@H](CF)C1.
What is the InChIKey of (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine?
The InChIKey is UNUFIFZKJHDREE-IKCIUXDWSA-N. The full InChI is InChI=1S/C15H25F2N/c1-11(2)5-4-6-12(3)18-14-7-8-15(17)13(9-14)10-16/h7,12-13,15,18H,1,4-6,8-10H2,2-3H3/t12-,13+,15?/m0/s1.
What are the key properties of (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine?
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine has a molecular weight of 257.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine is sourced from PubChem (CID 174095620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).