1-(2,2-difluoroethoxy)pentan-3-ol

C7H14F2O2 — CID 103147788

IUPAC1-(2,2-difluoroethoxy)pentan-3-ol
SMILESCCC(O)CCOCC(F)F
InChIInChI=1S/C7H14F2O2/c1-2-6(10)3-4-11-5-7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyBFUTYYOLROWZFP-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.43
Rot. Bonds6

About 1-(2,2-difluoroethoxy)pentan-3-ol

1-(2,2-difluoroethoxy)pentan-3-ol (PubChem CID 103147788) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)pentan-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)pentan-3-ol
PubChem CID103147788
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name1-(2,2-difluoroethoxy)pentan-3-ol
SMILESCCC(O)CCOCC(F)F
InChIInChI=1S/C7H14F2O2/c1-2-6(10)3-4-11-5-7(8)9/h6-7,10H,2-5H2,1H3
InChIKeyBFUTYYOLROWZFP-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
1-(2,2-difluoroethoxy)-6-methoxy-6-methylheptan-3-ol
CID 103147658
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
1-(3-hydroxypentylperoxy)pentan-3-ol
CID 141103396
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)pentan-3-ol?
The IUPAC name of 1-(2,2-difluoroethoxy)pentan-3-ol (CID 103147788) is 1-(2,2-difluoroethoxy)pentan-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)pentan-3-ol?
The canonical SMILES for 1-(2,2-difluoroethoxy)pentan-3-ol is CCC(O)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)pentan-3-ol?
The InChIKey is BFUTYYOLROWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c1-2-6(10)3-4-11-5-7(8)9/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)pentan-3-ol?
1-(2,2-difluoroethoxy)pentan-3-ol has a molecular weight of 168.18 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)pentan-3-ol is sourced from PubChem (CID 103147788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).