2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol

C7H14F3NO — CID 83915194

IUPAC2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)CC(O)(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-6(12,4-11)7(8,9)10/h5,12H,3-4,11H2,1-2H3
InChIKeyPNKHAEKUDDHUFY-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.28
Rot. Bonds3

About 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol

2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 83915194) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID83915194
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)CC(O)(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(2)3-6(12,4-11)7(8,9)10/h5,12H,3-4,11H2,1-2H3
InChIKeyPNKHAEKUDDHUFY-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
CID 112566856
(2S)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 139819668
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730
1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
CID 66278597
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
CID 105433377
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 71757351
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 83915194) is 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)CC(O)(CN)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is PNKHAEKUDDHUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)3-6(12,4-11)7(8,9)10/h5,12H,3-4,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 83915194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).