1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol

C7H15F2NO — CID 105433377

IUPAC1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
SMILESCC(C)C(C)(O)C(F)(F)CN
InChIInChI=1S/C7H15F2NO/c1-5(2)6(3,11)7(8,9)4-10/h5,11H,4,10H2,1-3H3
InChIKeyDCGULDYIZZYICY-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.99
Rot. Bonds3

About 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol

1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol (PubChem CID 105433377) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
PubChem CID105433377
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
SMILESCC(C)C(C)(O)C(F)(F)CN
InChIInChI=1S/C7H15F2NO/c1-5(2)6(3,11)7(8,9)4-10/h5,11H,4,10H2,1-3H3
InChIKeyDCGULDYIZZYICY-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2,2-difluoro-3-methylbutan-1-amine
CID 22002026
3,3-difluoro-2,2,4-trimethylpentan-1-amine
CID 116839608
2,2-difluoro-3-methylbutan-1-amine;hydrochloride
CID 105431378
2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 71757351
2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 83915194
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
2-ethyl-2-fluoro-3-methylbutan-1-amine
CID 112565881
2,3-dimethyl(213C)butan-2-ol
CID 100985919

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol?
The IUPAC name of 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol (CID 105433377) is 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol?
The canonical SMILES for 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol is CC(C)C(C)(O)C(F)(F)CN.
What is the InChIKey of 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol?
The InChIKey is DCGULDYIZZYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(2)6(3,11)7(8,9)4-10/h5,11H,4,10H2,1-3H3.
What are the key properties of 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol?
1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol has a molecular weight of 167.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol is sourced from PubChem (CID 105433377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).