3,3-difluoro-5-methylnonane

C10H20F2 — CID 165405619

IUPAC3,3-difluoro-5-methylnonane
SMILESCCCCC(C)CC(F)(F)CC
InChIInChI=1S/C10H20F2/c1-4-6-7-9(3)8-10(11,12)5-2/h9H,4-8H2,1-3H3
InChIKeyTXNAZHDSIPAHLQ-UHFFFAOYSA-N
MW178.27 g/mol
LogP4.25
Rot. Bonds6

About 3,3-difluoro-5-methylnonane

3,3-difluoro-5-methylnonane (PubChem CID 165405619) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,3-difluoro-5-methylnonane.

Molecular Properties

Compound Name3,3-difluoro-5-methylnonane
PubChem CID165405619
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name3,3-difluoro-5-methylnonane
SMILESCCCCC(C)CC(F)(F)CC
InChIInChI=1S/C10H20F2/c1-4-6-7-9(3)8-10(11,12)5-2/h9H,4-8H2,1-3H3
InChIKeyTXNAZHDSIPAHLQ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,5-trimethylnonane
CID 53424862
3-methylheptane-1,1,1-triol
CID 141376698
hexane;2,2,4-trimethyloctane
CID 174278610
(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,23-dimethyltritriacontane
CID 71339926
5,13,19-trimethylheptatriacontane
CID 172565409

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methylnonane?
The IUPAC name of 3,3-difluoro-5-methylnonane (CID 165405619) is 3,3-difluoro-5-methylnonane.
What is the SMILES notation for 3,3-difluoro-5-methylnonane?
The canonical SMILES for 3,3-difluoro-5-methylnonane is CCCCC(C)CC(F)(F)CC.
What is the InChIKey of 3,3-difluoro-5-methylnonane?
The InChIKey is TXNAZHDSIPAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-4-6-7-9(3)8-10(11,12)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-5-methylnonane?
3,3-difluoro-5-methylnonane has a molecular weight of 178.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylnonane is sourced from PubChem (CID 165405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).