3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol

C10H21F2NO — CID 103096689

IUPAC3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C(F)F
InChIInChI=1S/C10H21F2NO/c1-7(9(11)12)13-8(5-6-14)10(2,3)4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyVRACKDTWDJNXTH-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.03
Rot. Bonds5

About 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol

3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103096689) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID103096689
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)C(F)F
InChIInChI=1S/C10H21F2NO/c1-7(9(11)12)13-8(5-6-14)10(2,3)4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyVRACKDTWDJNXTH-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.03
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)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol (CID 103096689) is 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is VRACKDTWDJNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-7(9(11)12)13-8(5-6-14)10(2,3)4/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol?
3-(1,1-difluoropropan-2-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 209.28 g/mol, XLogP of 2.03, 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).