(3R)-3-(fluoromethyl)-2-methylpentane

C7H15F — CID 88580229

IUPAC(3R)-3-(fluoromethyl)-2-methylpentane
SMILESCC[C@@H](CF)C(C)C
InChIInChI=1S/C7H15F/c1-4-7(5-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyLGUITPBSRCVWOZ-ZETCQYMHSA-N
MW118.20 g/mol
LogP2.64
Rot. Bonds3

About (3R)-3-(fluoromethyl)-2-methylpentane

(3R)-3-(fluoromethyl)-2-methylpentane (PubChem CID 88580229) has the molecular formula C7H15F and a molecular weight of 118.20 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-2-methylpentane.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-2-methylpentane
PubChem CID88580229
Molecular FormulaC7H15F
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name(3R)-3-(fluoromethyl)-2-methylpentane
SMILESCC[C@@H](CF)C(C)C
InChIInChI=1S/C7H15F/c1-4-7(5-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyLGUITPBSRCVWOZ-ZETCQYMHSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-3-methylbutyl)alumane
CID 174381609
(3R)-3-ethyl-2-methylhexane
CID 59954424
3-ethyl-2-fluoropentane
CID 144624740
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
(4R)-3-ethyl-4-methylhexane
CID 59954491
5-ethyl-2,3,4-trimethylheptane
CID 53428868
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
4-ethyl-1-iodo-5-methylhexane
CID 118326959
3-ethyl-4-methylpentanal
CID 57153829
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
(4S)-4-ethyl-1,1,1-trifluoro-5-methylhexane-2,2-diol
CID 147451457

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-2-methylpentane?
The IUPAC name of (3R)-3-(fluoromethyl)-2-methylpentane (CID 88580229) is (3R)-3-(fluoromethyl)-2-methylpentane.
What is the SMILES notation for (3R)-3-(fluoromethyl)-2-methylpentane?
The canonical SMILES for (3R)-3-(fluoromethyl)-2-methylpentane is CC[C@@H](CF)C(C)C.
What is the InChIKey of (3R)-3-(fluoromethyl)-2-methylpentane?
The InChIKey is LGUITPBSRCVWOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15F/c1-4-7(5-8)6(2)3/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (3R)-3-(fluoromethyl)-2-methylpentane?
(3R)-3-(fluoromethyl)-2-methylpentane has a molecular weight of 118.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)-2-methylpentane is sourced from PubChem (CID 88580229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).