formaldehyde;methane;trifluoromethylcyclohexane

C9H17F3O — CID 142523059

IUPACformaldehyde;methane;trifluoromethylcyclohexane
SMILESC.C=O.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.CH2O.CH4/c8-7(9,10)6-4-2-1-3-5-6;1-2;/h6H,1-5H2;1H2;1H4
InChIKeyBJSHXPATUJBYOY-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.58
Rot. Bonds

About formaldehyde;methane;trifluoromethylcyclohexane

formaldehyde;methane;trifluoromethylcyclohexane (PubChem CID 142523059) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is formaldehyde;methane;trifluoromethylcyclohexane.

Molecular Properties

Compound Nameformaldehyde;methane;trifluoromethylcyclohexane
PubChem CID142523059
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Nameformaldehyde;methane;trifluoromethylcyclohexane
SMILESC.C=O.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.CH2O.CH4/c8-7(9,10)6-4-2-1-3-5-6;1-2;/h6H,1-5H2;1H2;1H4
InChIKeyBJSHXPATUJBYOY-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-4-(trifluoromethyl)cyclohexane
CID 70984825
1,1-difluoroprop-2-enylcyclohexane
CID 67843312
4-(trifluoromethyl)cycloheptan-1-amine
CID 86775157
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725
1-piperidin-1-yl-4-(trifluoromethyl)piperidine
CID 149253301
1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 82927882
tricyclohexylmethylsilane
CID 71348621
(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
CID 557964
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methane;trifluoromethylcyclohexane?
The IUPAC name of formaldehyde;methane;trifluoromethylcyclohexane (CID 142523059) is formaldehyde;methane;trifluoromethylcyclohexane.
What is the SMILES notation for formaldehyde;methane;trifluoromethylcyclohexane?
The canonical SMILES for formaldehyde;methane;trifluoromethylcyclohexane is C.C=O.FC(F)(F)C1CCCCC1.
What is the InChIKey of formaldehyde;methane;trifluoromethylcyclohexane?
The InChIKey is BJSHXPATUJBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3.CH2O.CH4/c8-7(9,10)6-4-2-1-3-5-6;1-2;/h6H,1-5H2;1H2;1H4.
What are the key properties of formaldehyde;methane;trifluoromethylcyclohexane?
formaldehyde;methane;trifluoromethylcyclohexane has a molecular weight of 198.23 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methane;trifluoromethylcyclohexane is sourced from PubChem (CID 142523059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).