2-amino-4-fluoro-4-methylpentan-1-ol

C6H14FNO — CID 78166488

IUPAC2-amino-4-fluoro-4-methylpentan-1-ol
SMILESCC(C)(F)CC(N)CO
InChIInChI=1S/C6H14FNO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4,8H2,1-2H3
InChIKeyIDGOXQYHOFKAMG-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-4-fluoro-4-methylpentan-1-ol

2-amino-4-fluoro-4-methylpentan-1-ol (PubChem CID 78166488) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 2-amino-4-fluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-fluoro-4-methylpentan-1-ol
PubChem CID78166488
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name2-amino-4-fluoro-4-methylpentan-1-ol
SMILESCC(C)(F)CC(N)CO
InChIInChI=1S/C6H14FNO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4,8H2,1-2H3
InChIKeyIDGOXQYHOFKAMG-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucinol
CID 111307
2-Amino-1-pentanol
CID 249017
D(-)-Leucinol
CID 2724002
2-Amino-3-methylpentan-1-ol
CID 91202
2-Amino-4-methylpentan-1-ol
CID 79030
3-Amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 4001149
(2R)-2-aminopentan-1-ol
CID 5324727
(2S,3S)-2-Amino-3-methyl-1-pentanol
CID 2724027
(2S)-2-aminopentan-1-ol
CID 6951248
(S)-2-Amino-4-methylpentan-1-ol hydrochloride
CID 12305004
2-Amino-4,4-dimethylpentan-1-ol
CID 22102263
(2S)-2-amino-3-methylpentan-1-ol
CID 11789185

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-4-methylpentan-1-ol?
The IUPAC name of 2-amino-4-fluoro-4-methylpentan-1-ol (CID 78166488) is 2-amino-4-fluoro-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-fluoro-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-fluoro-4-methylpentan-1-ol is CC(C)(F)CC(N)CO.
What is the InChIKey of 2-amino-4-fluoro-4-methylpentan-1-ol?
The InChIKey is IDGOXQYHOFKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4,8H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-4-methylpentan-1-ol?
2-amino-4-fluoro-4-methylpentan-1-ol has a molecular weight of 135.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-4-methylpentan-1-ol is sourced from PubChem (CID 78166488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).