3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol

C10H13ClFNO — CID 65239967

IUPAC3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
SMILESCC(N)(CCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-10(13,4-5-14)8-3-2-7(12)6-9(8)11/h2-3,6,14H,4-5,13H2,1H3
InChIKeySUQAFJVFICBYEE-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol

3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol (PubChem CID 65239967) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
PubChem CID65239967
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
SMILESCC(N)(CCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO/c1-10(13,4-5-14)8-3-2-7(12)6-9(8)11/h2-3,6,14H,4-5,13H2,1H3
InChIKeySUQAFJVFICBYEE-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
ethyl 3-amino-3-(2-chloro-4-fluorophenyl)butanoate
CID 79849164
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706
3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol
CID 130001829
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
1-bromo-2-(2-chloro-4-fluorophenyl)-1,1-difluoropropan-2-ol
CID 107140448
4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
CID 130673719
1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962
(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
CID 130625511

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol (CID 65239967) is 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol is CC(N)(CCO)c1ccc(F)cc1Cl.
What is the InChIKey of 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol?
The InChIKey is SUQAFJVFICBYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(13,4-5-14)8-3-2-7(12)6-9(8)11/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol?
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 65239967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).