3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol

C10H19F2NO — CID 104860459

IUPAC3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)C1CCCC1
InChIInChI=1S/C10H19F2NO/c1-8(9-4-2-3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyRENVJHHETZCRIR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds5

About 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol

3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol (PubChem CID 104860459) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol
PubChem CID104860459
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol
SMILESCC(NCC(F)(F)CO)C1CCCC1
InChIInChI=1S/C10H19F2NO/c1-8(9-4-2-3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyRENVJHHETZCRIR-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol (CID 104860459) is 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol is CC(NCC(F)(F)CO)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is RENVJHHETZCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(9-4-2-3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3.
What are the key properties of 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol?
3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).