(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol

C7H15F2NO — CID 79250376

IUPAC(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)6(4-11)10-3-7(8)9/h5-7,10-11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyHCJKAMVPTMDUTR-ZCFIWIBFSA-N
MW167.20 g/mol
LogP0.86
Rot. Bonds5

About (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol

(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol (PubChem CID 79250376) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol
PubChem CID79250376
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)6(4-11)10-3-7(8)9/h5-7,10-11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyHCJKAMVPTMDUTR-ZCFIWIBFSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol (CID 79250376) is (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC(F)F.
What is the InChIKey of (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The InChIKey is HCJKAMVPTMDUTR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(2)6(4-11)10-3-7(8)9/h5-7,10-11H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
(2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoroethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79250376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).