(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol

C7H16FNO — CID 127002194

IUPAC(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CCCF
InChIInChI=1S/C7H16FNO/c1-7(10)6-9(2)5-3-4-8/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyHAQKGXYKFRRZEW-ZETCQYMHSA-N
MW149.21 g/mol
LogP0.66
Rot. Bonds5

About (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol

(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol (PubChem CID 127002194) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
PubChem CID127002194
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CCCF
InChIInChI=1S/C7H16FNO/c1-7(10)6-9(2)5-3-4-8/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyHAQKGXYKFRRZEW-ZETCQYMHSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
1-[methyl(4-methylpent-4-enyl)amino]propan-2-ol
CID 138548396
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826
12-[2-hydroxypropyl(methyl)amino]dodecanoic acid
CID 88635021
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol (CID 127002194) is (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol is C[C@H](O)CN(C)CCCF.
What is the InChIKey of (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol?
The InChIKey is HAQKGXYKFRRZEW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(10)6-9(2)5-3-4-8/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol?
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol has a molecular weight of 149.21 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 127002194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).