1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol

C8H16FNO — CID 131219844

IUPAC1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol
SMILESCC1(NCC(O)CF)CCC1
InChIInChI=1S/C8H16FNO/c1-8(3-2-4-8)10-6-7(11)5-9/h7,10-11H,2-6H2,1H3
InChIKeyNWBYUJBZLPBRMY-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.85
Rot. Bonds4

About 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol

1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol (PubChem CID 131219844) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol
PubChem CID131219844
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol
SMILESCC1(NCC(O)CF)CCC1
InChIInChI=1S/C8H16FNO/c1-8(3-2-4-8)10-6-7(11)5-9/h7,10-11H,2-6H2,1H3
InChIKeyNWBYUJBZLPBRMY-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264023
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
CID 174323099
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214
1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 61365174
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol
CID 104866229
1-[(3-methyloxan-3-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 114113575
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol?
The IUPAC name of 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol (CID 131219844) is 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol.
What is the SMILES notation for 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol?
The canonical SMILES for 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol is CC1(NCC(O)CF)CCC1.
What is the InChIKey of 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol?
The InChIKey is NWBYUJBZLPBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(3-2-4-8)10-6-7(11)5-9/h7,10-11H,2-6H2,1H3.
What are the key properties of 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol?
1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol is sourced from PubChem (CID 131219844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).