(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride

C6H13ClFNO — CID 138629032

IUPAC(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](O)[C@@H](F)C1
InChIInChI=1S/C6H12FNO.ClH/c7-5-3-4(8)1-2-6(5)9;/h4-6,9H,1-3,8H2;1H/t4-,5+,6-;/m1./s1
InChIKeyNIJACTPTLYNFSD-KJESCUSBSA-N
MW169.63 g/mol
LogP0.62
Rot. Bonds

About (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride

(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride (PubChem CID 138629032) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride
PubChem CID138629032
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](O)[C@@H](F)C1
InChIInChI=1S/C6H12FNO.ClH/c7-5-3-4(8)1-2-6(5)9;/h4-6,9H,1-3,8H2;1H/t4-,5+,6-;/m1./s1
InChIKeyNIJACTPTLYNFSD-KJESCUSBSA-N
XLogP0.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4R)-4-amino-2-fluorocyclopentan-1-ol
CID 55285503
(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
CID 105427836
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
CID 55289345
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
2-fluoro-4-(2-methylprop-1-enyl)cyclohexan-1-ol
CID 123346169
(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
CID 159718639
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
3-aminocyclopentan-1-ol;ethane
CID 144981128
cyclohexane-1,4-diamine;hydrochloride
CID 54599176

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride?
The IUPAC name of (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride (CID 138629032) is (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride is Cl.N[C@@H]1CC[C@@H](O)[C@@H](F)C1.
What is the InChIKey of (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride?
The InChIKey is NIJACTPTLYNFSD-KJESCUSBSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c7-5-3-4(8)1-2-6(5)9;/h4-6,9H,1-3,8H2;1H/t4-,5+,6-;/m1./s1.
What are the key properties of (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride?
(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 138629032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).