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

C8H17F2NO — CID 102869733

IUPAC2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(2)7(4-12)11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyYVZINOXHTZSRID-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds5

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

2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol (PubChem CID 102869733) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol
PubChem CID102869733
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(2)7(4-12)11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyYVZINOXHTZSRID-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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Related Compounds

(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
1,1,1-Trifluoro-3-(isopentylamino)propan-2-ol
CID 61529702
3,3-Difluoro-2-[(2-hydroxyethylamino)methyl]butan-1-ol
CID 123504706
2-(Trifluoromethylamino)butan-1-ol
CID 141168185
CID 153378626
CID 153378626
4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
4,4,4-Trifluoro-3,3-dimethyl-2-(methylamino)butan-1-ol
CID 156159277
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 156694086
3,3-Difluoro-1-(2-methylpropylamino)butan-2-ol
CID 161229803
3-Fluoro-2-(2-methylpropylamino)propan-1-ol
CID 161475467

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol (CID 102869733) is 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)NC(C)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is YVZINOXHTZSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-5(2)7(4-12)11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol?
2-(1,1-difluoropropan-2-ylamino)-3-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 2-(1,1-difluoropropan-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 102869733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).