3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol

C7H16FNO — CID 126977387

IUPAC3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
SMILESCC(O)C(C)(CN)CCF
InChIInChI=1S/C7H16FNO/c1-6(10)7(2,5-9)3-4-8/h6,10H,3-5,9H2,1-2H3
InChIKeyWEFOZUIFXSHJSD-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.69
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol

3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol (PubChem CID 126977387) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
PubChem CID126977387
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
SMILESCC(O)C(C)(CN)CCF
InChIInChI=1S/C7H16FNO/c1-6(10)7(2,5-9)3-4-8/h6,10H,3-5,9H2,1-2H3
InChIKeyWEFOZUIFXSHJSD-UHFFFAOYSA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
CID 130514852
3-methyl-3-propylhexan-2-ol
CID 20501676
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
1,3-diamino-2-(aminomethyl)-2-methylpropan-1-ol;hydrate
CID 139628665
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
3,3,4-triaminobutan-2-ol
CID 87234105
3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
CID 65394038

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol (CID 126977387) is 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol is CC(O)C(C)(CN)CCF.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol?
The InChIKey is WEFOZUIFXSHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(10)7(2,5-9)3-4-8/h6,10H,3-5,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol?
3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol has a molecular weight of 149.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol is sourced from PubChem (CID 126977387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).