cis-(1R,3S)-3-fluorocyclohexan-1-amine

C6H12FN — CID 86333919

IUPACcis-(1R,3S)-3-fluorocyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKeyZPZKJQKFLQCCMD-NTSWFWBYSA-N
MW117.17 g/mol
LogP1.23
Rot. Bonds

About cis-(1R,3S)-3-fluorocyclohexan-1-amine

cis-(1R,3S)-3-fluorocyclohexan-1-amine (PubChem CID 86333919) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-fluorocyclohexan-1-amine
PubChem CID86333919
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Namecis-(1R,3S)-3-fluorocyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](F)C1
InChIInChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKeyZPZKJQKFLQCCMD-NTSWFWBYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3S)-3-fluorocyclohexan-1-amine
CID 86333917
3-cycloheptylcyclohexan-1-amine
CID 82924474
(3S)-3-methylcyclohexan-1-amine
CID 55284906
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
3-cycloundecylcyclooctan-1-amine
CID 166997696
3-cyclohexyloxycyclohexan-1-amine
CID 79464649
azane;cycloheptanamine
CID 135353953
(3R,13S)-bicyclo[11.1.0]tetradecan-3-amine
CID 155419218
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
3-(bromomethyl)cyclohexan-1-amine
CID 89245957

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-fluorocyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-fluorocyclohexan-1-amine (CID 86333919) is cis-(1R,3S)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-fluorocyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-fluorocyclohexan-1-amine is N[C@@H]1CCC[C@H](F)C1.
What is the InChIKey of cis-(1R,3S)-3-fluorocyclohexan-1-amine?
The InChIKey is ZPZKJQKFLQCCMD-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2/t5-,6+/m0/s1.
What are the key properties of cis-(1R,3S)-3-fluorocyclohexan-1-amine?
cis-(1R,3S)-3-fluorocyclohexan-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 86333919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).