4-(1,1-difluoropropan-2-ylamino)butan-2-ol

C7H15F2NO — CID 102869648

IUPAC4-(1,1-difluoropropan-2-ylamino)butan-2-ol
SMILESCC(O)CCNC(C)C(F)F
InChIInChI=1S/C7H15F2NO/c1-5(11)3-4-10-6(2)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyIMUDFOZAQOOIIX-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.00
Rot. Bonds5

About 4-(1,1-difluoropropan-2-ylamino)butan-2-ol

4-(1,1-difluoropropan-2-ylamino)butan-2-ol (PubChem CID 102869648) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-ylamino)butan-2-ol
PubChem CID102869648
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name4-(1,1-difluoropropan-2-ylamino)butan-2-ol
SMILESCC(O)CCNC(C)C(F)F
InChIInChI=1S/C7H15F2NO/c1-5(11)3-4-10-6(2)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyIMUDFOZAQOOIIX-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-ylamino)butan-2-ol?
The IUPAC name of 4-(1,1-difluoropropan-2-ylamino)butan-2-ol (CID 102869648) is 4-(1,1-difluoropropan-2-ylamino)butan-2-ol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-ylamino)butan-2-ol?
The canonical SMILES for 4-(1,1-difluoropropan-2-ylamino)butan-2-ol is CC(O)CCNC(C)C(F)F.
What is the InChIKey of 4-(1,1-difluoropropan-2-ylamino)butan-2-ol?
The InChIKey is IMUDFOZAQOOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(11)3-4-10-6(2)7(8)9/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of 4-(1,1-difluoropropan-2-ylamino)butan-2-ol?
4-(1,1-difluoropropan-2-ylamino)butan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropan-2-ylamino)butan-2-ol is sourced from PubChem (CID 102869648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).