(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride

C10H14Cl2FNO — CID 171200181

IUPAC(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m1./s1
InChIKeyLKOURKYXCKRUMC-SBSPUUFOSA-N
MW254.13 g/mol
LogP2.67
Rot. Bonds4

About (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride (PubChem CID 171200181) has the molecular formula C10H14Cl2FNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
PubChem CID171200181
Molecular FormulaC10H14Cl2FNO
Molecular Weight254.13 g/mol
Exact Mass253.04
IUPAC Name(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m1./s1
InChIKeyLKOURKYXCKRUMC-SBSPUUFOSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
2-amino-1-(2-chloro-6-fluorophenyl)butane-1,4-diol
CID 83925234
(1S)-1-(2-chloro-6-fluorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219703

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride (CID 171200181) is (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1c(F)cccc1Cl.
What is the InChIKey of (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride?
The InChIKey is LKOURKYXCKRUMC-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13ClFNO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride has a molecular weight of 254.13 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171200181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).