1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol

C11H18F2O2 — CID 103210256

IUPAC1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C11H18F2O2/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11,14H,1-3,5-8H2
InChIKeyLQERVIQTAMDVMQ-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.52
Rot. Bonds6

About 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol

1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol (PubChem CID 103210256) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
PubChem CID103210256
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C11H18F2O2/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11,14H,1-3,5-8H2
InChIKeyLQERVIQTAMDVMQ-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexen-1-yl)-2,2,2-trifluoroethanol
CID 62078057
8,8-difluoro-2,3,4,5-tetrahydro-1H-naphthalen-1-ol
CID 69866771
(1S)-4-(4-butoxycyclohexen-1-yl)-2,3-difluorocyclohexa-2,4-dien-1-ol
CID 90437314
(3S)-5-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]pentane-1,3-diol
CID 130467339
1,1,1-Trifluoro-3-methyl-2-(trifluoromethyl)undec-3-ene-2,10-diol
CID 140120258
Ethane;3-ethyl-6,6-difluoro-2-methylcyclohex-2-en-1-ol
CID 144129319
(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol
CID 146507174
(1R)-3-(trifluoromethyl)cyclohex-2-en-1-ol
CID 155213150
3-(Trifluoromethyl)cyclohex-2-en-1-ol
CID 155213198
[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
CID 163515887
(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol
CID 163560360
3-(Trifluoromethyl)cyclohept-2-en-1-ol
CID 166885238

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol (CID 103210256) is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol is OC(CCOCC(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
The InChIKey is LQERVIQTAMDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11,14H,1-3,5-8H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol?
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol has a molecular weight of 220.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol is sourced from PubChem (CID 103210256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).