methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate

C7H7F8NO3 — CID 2303347

IUPACmethyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
SMILESCOC(=O)N[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NO3/c1-19-4(18)16-3(17)6(12,13)7(14,15)5(10,11)2(8)9/h2-3,17H,1H3,(H,16,18)/t3-/m1/s1
InChIKeyBVMWPTOXORUIIK-GSVOUGTGSA-N
MW305.12 g/mol
LogP1.83
Rot. Bonds5

About methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate

methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate (PubChem CID 2303347) has the molecular formula C7H7F8NO3 and a molecular weight of 305.12 g/mol. Its IUPAC name is methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
PubChem CID2303347
Molecular FormulaC7H7F8NO3
Molecular Weight305.12 g/mol
Exact Mass305.03
IUPAC Namemethyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
SMILESCOC(=O)N[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NO3/c1-19-4(18)16-3(17)6(12,13)7(14,15)5(10,11)2(8)9/h2-3,17H,1H3,(H,16,18)/t3-/m1/s1
InChIKeyBVMWPTOXORUIIK-GSVOUGTGSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide
CID 3099800
methyl N-[(1S)-2,2,3,3,4,4,5,5-octafluoro-1-phenoxypentyl]carbamate
CID 2331475
N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide
CID 3099801
methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 23234717
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl 2-acetamido-3,3,4,4,5,5,6,6-octafluoro-2-hydroxyhexanoate
CID 13173285
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
ethyl N-(1-diethoxyphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl)carbamate
CID 15194576
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9-hexadecafluorononan-5-one
CID 87966898
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acetate
CID 13155363

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate?
The IUPAC name of methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate (CID 2303347) is methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate?
The canonical SMILES for methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate is COC(=O)N[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate?
The InChIKey is BVMWPTOXORUIIK-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7F8NO3/c1-19-4(18)16-3(17)6(12,13)7(14,15)5(10,11)2(8)9/h2-3,17H,1H3,(H,16,18)/t3-/m1/s1.
What are the key properties of methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate?
methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate has a molecular weight of 305.12 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate is sourced from PubChem (CID 2303347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).