3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol

C8H17F2NO — CID 102870084

IUPAC3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(4-12)6(2)11-7(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyFVQJACNSEWJCEQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds5

About 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol

3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol (PubChem CID 102870084) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol
PubChem CID102870084
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(4-12)6(2)11-7(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyFVQJACNSEWJCEQ-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol (CID 102870084) is 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol is CC(CO)C(C)NC(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol?
The InChIKey is FVQJACNSEWJCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-5(4-12)6(2)11-7(3)8(9)10/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol?
3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 102870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).