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

C8H17F2NO — CID 102869775

IUPAC4-(1,1-difluoropropan-2-ylamino)pentan-1-ol
SMILESCC(CCCO)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(4-3-5-12)11-7(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyKJRCDNRMDFUTSB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

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

4-(1,1-difluoropropan-2-ylamino)pentan-1-ol (PubChem CID 102869775) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(1,1-difluoropropan-2-ylamino)pentan-1-ol
PubChem CID102869775
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name4-(1,1-difluoropropan-2-ylamino)pentan-1-ol
SMILESCC(CCCO)NC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(4-3-5-12)11-7(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyKJRCDNRMDFUTSB-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
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)pentan-1-ol?
The IUPAC name of 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol (CID 102869775) is 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol is CC(CCCO)NC(C)C(F)F.
What is the InChIKey of 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol?
The InChIKey is KJRCDNRMDFUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(4-3-5-12)11-7(2)8(9)10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 4-(1,1-difluoropropan-2-ylamino)pentan-1-ol?
4-(1,1-difluoropropan-2-ylamino)pentan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 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)pentan-1-ol is sourced from PubChem (CID 102869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).