N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide

C12H24FNO — CID 126694480

IUPACN-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
SMILESCCCCC(C(C)C)[C@H](CF)NC(C)=O
InChIInChI=1S/C12H24FNO/c1-5-6-7-11(9(2)3)12(8-13)14-10(4)15/h9,11-12H,5-8H2,1-4H3,(H,14,15)/t11?,12-/m0/s1
InChIKeyQBRVKHPQGFRUNW-KIYNQFGBSA-N
MW217.33 g/mol
LogP2.92
Rot. Bonds7

About N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide

N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide (PubChem CID 126694480) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
PubChem CID126694480
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC NameN-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
SMILESCCCCC(C(C)C)[C@H](CF)NC(C)=O
InChIInChI=1S/C12H24FNO/c1-5-6-7-11(9(2)3)12(8-13)14-10(4)15/h9,11-12H,5-8H2,1-4H3,(H,14,15)/t11?,12-/m0/s1
InChIKeyQBRVKHPQGFRUNW-KIYNQFGBSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
CID 122599066
N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide
CID 163910436
N-hexan-2-ylacetamide;methane
CID 161054772
N-(6-ethyldecan-5-yl)acetamide
CID 88504383
N-[1-[butyl(propan-2-yl)amino]-4-methylpentan-3-yl]acetamide
CID 169251356
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
(2R)-2-acetamidohexanoate
CID 6995105
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
(2S,3S)-1,1-difluoro-3-propan-2-ylheptan-2-ol
CID 122598663
N-(1-methylsulfanylhexan-2-yl)acetamide
CID 20559067

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide (CID 126694480) is N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide is CCCCC(C(C)C)[C@H](CF)NC(C)=O.
What is the InChIKey of N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide?
The InChIKey is QBRVKHPQGFRUNW-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H24FNO/c1-5-6-7-11(9(2)3)12(8-13)14-10(4)15/h9,11-12H,5-8H2,1-4H3,(H,14,15)/t11?,12-/m0/s1.
What are the key properties of N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide?
N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide has a molecular weight of 217.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide is sourced from PubChem (CID 126694480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).