ethane;4-fluoro-2,2-dimethylhexane

C10H23F — CID 166536909

IUPACethane;4-fluoro-2,2-dimethylhexane
SMILESCC.CCC(F)CC(C)(C)C
InChIInChI=1S/C8H17F.C2H6/c1-5-7(9)6-8(2,3)4;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyREEITXZUUHKDSB-UHFFFAOYSA-N
MW162.29 g/mol
LogP4.20
Rot. Bonds2

About ethane;4-fluoro-2,2-dimethylhexane

ethane;4-fluoro-2,2-dimethylhexane (PubChem CID 166536909) has the molecular formula C10H23F and a molecular weight of 162.29 g/mol. Its IUPAC name is ethane;4-fluoro-2,2-dimethylhexane.

Molecular Properties

Compound Nameethane;4-fluoro-2,2-dimethylhexane
PubChem CID166536909
Molecular FormulaC10H23F
Molecular Weight162.29 g/mol
Exact Mass162.18
IUPAC Nameethane;4-fluoro-2,2-dimethylhexane
SMILESCC.CCC(F)CC(C)(C)C
InChIInChI=1S/C8H17F.C2H6/c1-5-7(9)6-8(2,3)4;1-2/h7H,5-6H2,1-4H3;1-2H3
InChIKeyREEITXZUUHKDSB-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;4-fluoro-2,2-dimethylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-fluoro-2,2-dimethylhexane
CID 134192582
(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
CID 176737722
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
methane;2,2,4-trimethylhexane
CID 159659116
5,5-dimethylhexane-3-thiol
CID 23454501
azane;2,2,4-trimethylhexane
CID 87634842
ethane;2-ethyl-4-fluoro-2-(3-methylbutyl)hexane-1-thiol
CID 168880917
4-methanidyl-2,2-dimethylpentane;yttrium
CID 59107436
2-ethyl-4-fluoro-2-propylhexan-1-ol
CID 168880821
3-fluoro-5,5-dimethylhexan-2-amine
CID 105429117
2-fluorobutan-1-amine;hydrochloride
CID 71755419
3-fluorohexane;fluoromethane
CID 171506304

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2,2-dimethylhexane?
The IUPAC name of ethane;4-fluoro-2,2-dimethylhexane (CID 166536909) is ethane;4-fluoro-2,2-dimethylhexane.
What is the SMILES notation for ethane;4-fluoro-2,2-dimethylhexane?
The canonical SMILES for ethane;4-fluoro-2,2-dimethylhexane is CC.CCC(F)CC(C)(C)C.
What is the InChIKey of ethane;4-fluoro-2,2-dimethylhexane?
The InChIKey is REEITXZUUHKDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F.C2H6/c1-5-7(9)6-8(2,3)4;1-2/h7H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;4-fluoro-2,2-dimethylhexane?
ethane;4-fluoro-2,2-dimethylhexane has a molecular weight of 162.29 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2,2-dimethylhexane is sourced from PubChem (CID 166536909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).