4-fluoro-1-(methylamino)pentan-3-ol

C6H14FNO — CID 174427700

IUPAC4-fluoro-1-(methylamino)pentan-3-ol
SMILESCNCCC(O)C(C)F
InChIInChI=1S/C6H14FNO/c1-5(7)6(9)3-4-8-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyAKMBEXMUTBTUEH-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.31
Rot. Bonds4

About 4-fluoro-1-(methylamino)pentan-3-ol

4-fluoro-1-(methylamino)pentan-3-ol (PubChem CID 174427700) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 4-fluoro-1-(methylamino)pentan-3-ol.

Molecular Properties

Compound Name4-fluoro-1-(methylamino)pentan-3-ol
PubChem CID174427700
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name4-fluoro-1-(methylamino)pentan-3-ol
SMILESCNCCC(O)C(C)F
InChIInChI=1S/C6H14FNO/c1-5(7)6(9)3-4-8-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyAKMBEXMUTBTUEH-UHFFFAOYSA-N
XLogP0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
4-fluoro-N-methylpentan-1-amine
CID 123463233
1-(4-amino-2,3-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890299
4-hydroxy-2-methyl-6-(methylamino)hexan-3-one
CID 88928528
4-methyl-6-(methylamino)hexane-1,2-diol
CID 171648531
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
3,4,4,4-tetrafluoro-N-methylbutan-1-amine
CID 84731464
1-(4-fluoro-3,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890049
1,1-difluoro-3-(3-methylbutylamino)propan-2-ol
CID 103578687
1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(methylamino)pentan-3-ol?
The IUPAC name of 4-fluoro-1-(methylamino)pentan-3-ol (CID 174427700) is 4-fluoro-1-(methylamino)pentan-3-ol.
What is the SMILES notation for 4-fluoro-1-(methylamino)pentan-3-ol?
The canonical SMILES for 4-fluoro-1-(methylamino)pentan-3-ol is CNCCC(O)C(C)F.
What is the InChIKey of 4-fluoro-1-(methylamino)pentan-3-ol?
The InChIKey is AKMBEXMUTBTUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-5(7)6(9)3-4-8-2/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-(methylamino)pentan-3-ol?
4-fluoro-1-(methylamino)pentan-3-ol has a molecular weight of 135.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(methylamino)pentan-3-ol is sourced from PubChem (CID 174427700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).