2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol

C9H18F2O2 — CID 134469351

IUPAC2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol
SMILESCCCC(CC(F)F)C(O)OCC
InChIInChI=1S/C9H18F2O2/c1-3-5-7(6-8(10)11)9(12)13-4-2/h7-9,12H,3-6H2,1-2H3
InChIKeyZKHSNQYGESKTEO-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.41
Rot. Bonds7

About 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol

2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol (PubChem CID 134469351) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol
PubChem CID134469351
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol
SMILESCCCC(CC(F)F)C(O)OCC
InChIInChI=1S/C9H18F2O2/c1-3-5-7(6-8(10)11)9(12)13-4-2/h7-9,12H,3-6H2,1-2H3
InChIKeyZKHSNQYGESKTEO-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-ethoxyoctan-1-ol
CID 141447207
2,2-difluoroethyl-diethoxy-hydroxyphosphanium
CID 177308217
ethyl 2-[ethoxy(hydroxy)methyl]pentanoate
CID 123662696
ethyl 2,4,4-trifluorobutanoate
CID 142778166
2-ethyl-1-(2-ethylpentoxy)pentan-1-ol
CID 174826568
4,8-dipropylundecane-5,7-diol
CID 157462430
1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705
2-propylpentane-1,1-diol
CID 87788314
2,2-dibromo-1-ethoxyethanol
CID 18421052
1,1-difluorobutane;ethane
CID 164925096
ethyl (2S)-4,4-diethoxy-2-fluorobutanoate
CID 95970314
CID 159597367
CID 159597367

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol?
The IUPAC name of 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol (CID 134469351) is 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol is CCCC(CC(F)F)C(O)OCC.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol?
The InChIKey is ZKHSNQYGESKTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-3-5-7(6-8(10)11)9(12)13-4-2/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol?
2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol has a molecular weight of 196.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol is sourced from PubChem (CID 134469351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).