1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol

C6H9F5O2 — CID 175353311

IUPAC1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESCC(O)COC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H9F5O2/c1-4(12)2-13-6(10,11)3-5(7,8)9/h4,12H,2-3H2,1H3
InChIKeyLQPNFHNRXBLNNO-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.93
Rot. Bonds4

About 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol

1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol (PubChem CID 175353311) has the molecular formula C6H9F5O2 and a molecular weight of 208.13 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol
PubChem CID175353311
Molecular FormulaC6H9F5O2
Molecular Weight208.13 g/mol
Exact Mass208.05
IUPAC Name1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESCC(O)COC(F)(F)CC(F)(F)F
InChIInChI=1S/C6H9F5O2/c1-4(12)2-13-6(10,11)3-5(7,8)9/h4,12H,2-3H2,1H3
InChIKeyLQPNFHNRXBLNNO-UHFFFAOYSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethoxy)-1,1,3,3,3-pentafluoropropane
CID 58114498
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
1-(2-ethoxyethoxy)-1,1,3,3,3-pentafluoropropane
CID 126551294
1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
CID 142712433
6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
CID 129270186
1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane
CID 88558628
1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
CID 87502285
1-(13-decylhexacosan-13-yloxy)propan-2-ol
CID 118040395
1,1,1,3,3,3-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)propane
CID 11522280
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol (CID 175353311) is 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol is CC(O)COC(F)(F)CC(F)(F)F.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol?
The InChIKey is LQPNFHNRXBLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O2/c1-4(12)2-13-6(10,11)3-5(7,8)9/h4,12H,2-3H2,1H3.
What are the key properties of 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol?
1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol has a molecular weight of 208.13 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoropropoxy)propan-2-ol is sourced from PubChem (CID 175353311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).