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

C9H19F2NO — CID 102869304

IUPAC2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-6(2)4-8(5-13)12-7(3)9(10)11/h6-9,12-13H,4-5H2,1-3H3
InChIKeyFCOMCUMUTSRFHY-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds6

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

2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol (PubChem CID 102869304) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol
PubChem CID102869304
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-6(2)4-8(5-13)12-7(3)9(10)11/h6-9,12-13H,4-5H2,1-3H3
InChIKeyFCOMCUMUTSRFHY-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol (CID 102869304) is 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is FCOMCUMUTSRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-6(2)4-8(5-13)12-7(3)9(10)11/h6-9,12-13H,4-5H2,1-3H3.
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol?
2-(1,1-difluoropropan-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.64, 6 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)-4-methylpentan-1-ol is sourced from PubChem (CID 102869304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).