3-(difluoromethoxymethyl)heptane

C9H18F2O — CID 162429038

IUPAC3-(difluoromethoxymethyl)heptane
SMILESCCCCC(CC)COC(F)F
InChIInChI=1S/C9H18F2O/c1-3-5-6-8(4-2)7-12-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyOIWOFGUNUSVXCD-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.44
Rot. Bonds7

About 3-(difluoromethoxymethyl)heptane

3-(difluoromethoxymethyl)heptane (PubChem CID 162429038) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)heptane.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)heptane
PubChem CID162429038
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name3-(difluoromethoxymethyl)heptane
SMILESCCCCC(CC)COC(F)F
InChIInChI=1S/C9H18F2O/c1-3-5-6-8(4-2)7-12-9(10)11/h8-9H,3-7H2,1-2H3
InChIKeyOIWOFGUNUSVXCD-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(heptan-3-yloxymethyl)heptane
CID 90211738
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
CID 88774019
CID 88774019
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
2-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120
5,8-diethyl-6-(2-ethylhexoxy)dodecane
CID 123215209

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)heptane?
The IUPAC name of 3-(difluoromethoxymethyl)heptane (CID 162429038) is 3-(difluoromethoxymethyl)heptane.
What is the SMILES notation for 3-(difluoromethoxymethyl)heptane?
The canonical SMILES for 3-(difluoromethoxymethyl)heptane is CCCCC(CC)COC(F)F.
What is the InChIKey of 3-(difluoromethoxymethyl)heptane?
The InChIKey is OIWOFGUNUSVXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-3-5-6-8(4-2)7-12-9(10)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)heptane?
3-(difluoromethoxymethyl)heptane has a molecular weight of 180.24 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)heptane is sourced from PubChem (CID 162429038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).