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

C8H15F2NO — CID 103731601

IUPAC3-(cyclopentylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCCC1)C(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)7(12)5-11-6-3-1-2-4-6/h6-8,11-12H,1-5H2
InChIKeySQRSTKJEFPESDD-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.14
Rot. Bonds4

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

3-(cyclopentylamino)-1,1-difluoropropan-2-ol (PubChem CID 103731601) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(cyclopentylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(cyclopentylamino)-1,1-difluoropropan-2-ol
PubChem CID103731601
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(cyclopentylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCCC1)C(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)7(12)5-11-6-3-1-2-4-6/h6-8,11-12H,1-5H2
InChIKeySQRSTKJEFPESDD-UHFFFAOYSA-N
XLogP1.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(cyclopentylamino)-1,1-difluoropropan-2-ol (CID 103731601) is 3-(cyclopentylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(cyclopentylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(cyclopentylamino)-1,1-difluoropropan-2-ol is OC(CNC1CCCC1)C(F)F.
What is the InChIKey of 3-(cyclopentylamino)-1,1-difluoropropan-2-ol?
The InChIKey is SQRSTKJEFPESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)7(12)5-11-6-3-1-2-4-6/h6-8,11-12H,1-5H2.
What are the key properties of 3-(cyclopentylamino)-1,1-difluoropropan-2-ol?
3-(cyclopentylamino)-1,1-difluoropropan-2-ol has a molecular weight of 179.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).