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

C9H19F2NO — CID 106143357

IUPAC4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(NCC(C)(C)CCO)C(F)F
InChIInChI=1S/C9H19F2NO/c1-7(8(10)11)12-6-9(2,3)4-5-13/h7-8,12-13H,4-6H2,1-3H3
InChIKeyOULLYILXCKNNIU-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds6

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

4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106143357) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol
PubChem CID106143357
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESCC(NCC(C)(C)CCO)C(F)F
InChIInChI=1S/C9H19F2NO/c1-7(8(10)11)12-6-9(2,3)4-5-13/h7-8,12-13H,4-6H2,1-3H3
InChIKeyOULLYILXCKNNIU-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 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol (CID 106143357) is 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol is CC(NCC(C)(C)CCO)C(F)F.
What is the InChIKey of 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is OULLYILXCKNNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(8(10)11)12-6-9(2,3)4-5-13/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol?
4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-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 4-(1,1-difluoropropan-2-ylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106143357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).