N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide

C10H20FNO — CID 122599066

IUPACN-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
SMILESCCCCC(C)[C@@H](CF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8?,10-/m1/s1
InChIKeyZONGJEAMMHYIBT-LHIURRSHSA-N
MW189.27 g/mol
LogP2.29
Rot. Bonds6

About N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide

N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide (PubChem CID 122599066) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
PubChem CID122599066
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
SMILESCCCCC(C)[C@@H](CF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8?,10-/m1/s1
InChIKeyZONGJEAMMHYIBT-LHIURRSHSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
CID 126694480
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
2-butyl-2-methyl-N-(5-methylnonan-4-yl)hexanamide
CID 170184145
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
(2R)-2-acetamidohexanoate
CID 6995105
1-fluoro-3-methylheptan-2-ol
CID 122599053
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide (CID 122599066) is N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide is CCCCC(C)[C@@H](CF)NC(C)=O.
What is the InChIKey of N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide?
The InChIKey is ZONGJEAMMHYIBT-LHIURRSHSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8?,10-/m1/s1.
What are the key properties of N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide?
N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide has a molecular weight of 189.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide is sourced from PubChem (CID 122599066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).